cis-(1R,2S)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide

C21H27N5O2 — CID 92554368

IUPACcis-(1R,2S)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide
SMILESCc1cc(-c2cnc(N3CCC(NC(=O)[C@@H]4C[C@@H]4C)CC3)nc2C2CC2)on1
InChIInChI=1S/C21H27N5O2/c1-12-9-16(12)20(27)23-15-5-7-26(8-6-15)21-22-11-17(18-10-13(2)25-28-18)19(24-21)14-3-4-14/h10-12,14-16H,3-9H2,1-2H3,(H,23,27)/t12-,16+/m0/s1
InChIKeySKIHXPDNOKJKOE-BLLLJJGKSA-N
MW381.48 g/mol
LogP3.06
Rot. Bonds5

About cis-(1R,2S)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide

cis-(1R,2S)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide (PubChem CID 92554368) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is cis-(1R,2S)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide
PubChem CID92554368
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Namecis-(1R,2S)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide
SMILESCc1cc(-c2cnc(N3CCC(NC(=O)[C@@H]4C[C@@H]4C)CC3)nc2C2CC2)on1
InChIInChI=1S/C21H27N5O2/c1-12-9-16(12)20(27)23-15-5-7-26(8-6-15)21-22-11-17(18-10-13(2)25-28-18)19(24-21)14-3-4-14/h10-12,14-16H,3-9H2,1-2H3,(H,23,27)/t12-,16+/m0/s1
InChIKeySKIHXPDNOKJKOE-BLLLJJGKSA-N
XLogP3.06
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze cis-(1R,2S)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide with MolForge

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Related Compounds

(2R)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]oxolane-2-carboxamide
CID 92554375
N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]-3-methoxycyclohexane-1-carboxamide
CID 110224627
(3S,4R)-1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]-3-methylpiperidin-4-ol
CID 124912954
5-[4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-piperidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole
CID 95803023
trans-(1S,2S)-2-methyl-N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclopropane-1-carboxamide
CID 98134572
[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-piperidin-1-ylpyrimidin-4-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 92554578
[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 46952682
furan-2-yl-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 46952660
cyclopropyl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110219984
4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-propylpiperidin-4-yl)pyrimidin-2-yl]morpholine
CID 45488393
2,2-dimethyl-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 51584557
cyclohexyl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 110219773

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide (CID 92554368) is cis-(1R,2S)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide is Cc1cc(-c2cnc(N3CCC(NC(=O)[C@@H]4C[C@@H]4C)CC3)nc2C2CC2)on1.
What is the InChIKey of cis-(1R,2S)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is SKIHXPDNOKJKOE-BLLLJJGKSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-12-9-16(12)20(27)23-15-5-7-26(8-6-15)21-22-11-17(18-10-13(2)25-28-18)19(24-21)14-3-4-14/h10-12,14-16H,3-9H2,1-2H3,(H,23,27)/t12-,16+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 92554368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).